#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj s ILE 2 N 0.00 4.92 0.12 3.17 -1.09 0.09 -4.82 121.20 123.59 2wdj s ILE 2 Ca 0.00 1.16 0.02 0.00 -2.23 0.00 0.00 60.65 59.60 2wdj s ILE 2 Cb 0.00 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 2wdj s ILE 2 CO 0.00 0.45 -0.03 0.00 -1.23 0.00 0.00 174.94 174.12 2wdj s GLN 3 N -0.35 0.93 0.22 2.79 -2.07 -1.26 0.39 119.66 120.31 2wdj s GLN 3 Ca 0.29 -1.41 -0.32 0.00 -1.82 0.00 0.00 55.36 52.11 2wdj s GLN 3 Cb -0.18 -0.19 -0.12 0.00 -1.09 0.00 0.00 33.01 31.43 2wdj s GLN 3 CO 0.16 -0.07 1.65 -0.35 -1.32 0.00 0.00 175.29 175.35 2wdj n PRO 4 N -0.11 2.60 0.00 9.60 -0.04 -1.26 -1.53 135.00 144.26 2wdj n PRO 4 Ca -0.10 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 2wdj n PRO 4 Cb 0.62 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 2wdj n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2wdj n GLN 5 N 3.28 0.00 -2.74 0.54 -0.06 -1.06 -4.95 117.38 112.39 2wdj n GLN 5 Ca 0.14 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.78 2wdj n GLN 5 Cb 0.34 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.46 2wdj n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2wdj s THR 6 N -2.03 4.17 -0.12 1.69 2.01 -0.58 -4.78 115.64 115.99 2wdj s THR 6 Ca 0.00 1.60 -0.08 0.00 0.31 0.00 0.00 61.69 63.52 2wdj s THR 6 Cb 0.00 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2wdj s THR 6 CO 0.00 -0.04 0.17 -0.31 -0.69 0.00 0.00 174.62 173.75 2wdj s TYR 7 N -1.82 3.59 -0.05 4.92 1.51 -1.26 -0.83 117.35 123.41 2wdj s TYR 7 Ca 0.56 0.56 0.03 0.00 -1.01 0.00 0.00 57.07 57.21 2wdj s TYR 7 Cb -0.16 -2.01 0.01 0.00 -0.11 0.00 0.00 41.96 39.68 2wdj s TYR 7 CO 0.21 0.66 -0.14 -0.51 -1.11 0.00 0.00 175.55 174.66 2wdj s LEU 8 N -0.83 1.77 0.27 -1.29 2.01 0.64 -4.79 118.68 116.48 2wdj s LEU 8 Ca 0.15 -0.30 -0.29 0.00 0.01 0.00 0.00 54.13 53.69 2wdj s LEU 8 Cb -0.12 -0.84 -0.09 0.00 0.01 0.00 0.00 46.19 45.14 2wdj s LEU 8 CO 0.04 0.08 1.07 -0.70 1.01 0.00 0.00 176.35 177.85 2wdj s GLU 9 N 0.36 4.67 -0.18 1.70 2.56 0.29 -0.79 118.70 127.31 2wdj s GLU 9 Ca -0.09 1.74 -0.11 0.00 0.00 0.00 0.00 54.97 56.51 2wdj s GLU 9 Cb -0.13 -3.19 -0.05 0.00 2.00 0.00 0.00 34.13 32.76 2wdj s GLU 9 CO 0.03 0.26 0.19 0.14 -0.56 0.00 0.00 175.26 175.32 2wdj s VAL 10 N -1.18 5.38 -2.17 3.70 -7.23 -1.10 -0.17 120.40 117.64 2wdj s VAL 10 Ca 0.44 0.32 0.19 0.00 -1.81 0.00 0.00 61.98 61.11 2wdj s VAL 10 Cb -0.31 -3.52 0.45 0.00 0.56 0.00 0.00 36.38 33.56 2wdj s VAL 10 CO 0.39 0.43 1.42 0.00 -0.31 0.00 0.00 175.10 177.04 2wdj n ALA 11 N 3.47 2.44 -3.63 1.32 0.00 0.71 -4.89 120.51 119.94 2wdj n ALA 11 Ca -0.15 -0.83 -0.05 0.00 0.00 0.00 0.00 53.44 52.41 2wdj n ALA 11 Cb 0.52 -0.97 -0.00 0.00 0.00 0.00 0.00 19.45 19.00 2wdj n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wdj n ASP 12 N 0.94 1.43 -2.30 0.00 3.85 -1.26 0.21 116.55 119.42 2wdj n ASP 12 Ca 0.17 -1.36 -0.28 0.00 -0.71 0.00 0.00 54.79 52.61 2wdj n ASP 12 Cb 0.44 0.00 0.02 0.00 -1.35 0.00 0.00 41.12 40.24 2wdj n ASP 12 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 2wdj n ASN 13 N -1.87 5.51 0.00 -1.12 6.94 -1.26 -4.70 115.26 118.75 2wdj n ASN 13 Ca -0.01 -3.75 0.11 0.00 -0.02 0.00 0.00 54.58 50.90 2wdj n ASN 13 Cb 0.12 -0.54 0.63 0.00 -2.36 0.00 0.00 39.78 37.63 2wdj n ASN 13 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2wdj n THR 14 N -0.65 0.00 0.00 5.53 -1.04 -1.26 -4.82 114.28 112.04 2wdj n THR 14 Ca 0.46 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 2wdj n THR 14 Cb 0.76 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 2wdj n THR 14 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wdj n GLY 15 N 0.45 2.67 3.74 3.41 0.00 -1.26 -2.44 105.19 111.75 2wdj n GLY 15 Ca 0.16 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2wdj n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdj s ALA 16 N -1.40 3.55 -0.20 4.61 0.00 -1.26 -0.15 121.76 126.89 2wdj s ALA 16 Ca 0.00 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.12 2wdj s ALA 16 Cb 0.00 -3.50 -0.14 0.00 0.00 0.00 0.00 23.12 19.48 2wdj s ALA 16 CO 0.00 -0.57 -0.16 -2.13 0.00 0.00 0.00 175.76 172.89 2wdj n ARG 17 N 2.76 0.58 -3.73 0.00 3.00 -0.70 -4.73 116.66 113.85 2wdj n ARG 17 Ca 0.07 0.11 -0.13 0.00 -0.00 0.00 0.00 57.85 57.90 2wdj n ARG 17 Cb 0.42 -1.41 -0.14 0.00 0.00 0.00 0.00 32.46 31.34 2wdj n ARG 17 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2wdj s LYS 18 N -2.41 0.17 0.22 -0.14 1.02 -0.93 -2.70 119.74 114.97 2wdj s LYS 18 Ca -0.26 0.49 0.08 0.00 0.02 0.00 0.00 55.97 56.30 2wdj s LYS 18 Cb 0.07 -0.14 -0.05 0.00 -0.52 0.00 0.00 37.83 37.19 2wdj s LYS 18 CO 0.49 -0.17 -0.14 0.96 -0.92 0.00 0.00 175.35 175.57 2wdj s ILE 19 N 1.28 1.79 -0.08 2.17 -4.36 0.03 -1.92 121.20 120.11 2wdj s ILE 19 Ca -0.09 -2.22 0.04 0.00 -0.26 0.00 0.00 60.65 58.13 2wdj s ILE 19 Cb -0.11 -2.12 -0.00 0.00 1.25 0.00 0.00 42.46 41.48 2wdj s ILE 19 CO -0.08 -0.54 -0.22 -0.32 0.24 0.00 0.00 174.94 174.02 2wdj s MET 20 N -3.64 2.57 0.70 0.37 -2.45 -0.82 0.23 119.30 116.26 2wdj s MET 20 Ca 0.24 -0.79 -0.16 0.00 -1.25 0.00 0.00 55.69 53.73 2wdj s MET 20 Cb -0.01 -2.05 0.02 0.00 1.25 0.00 0.00 34.83 34.05 2wdj s MET 20 CO 0.08 0.22 1.26 0.00 1.05 0.00 0.00 175.02 177.63 2wdj n ILE 22 N -2.39 0.00 -3.55 0.00 2.08 0.17 -2.56 119.36 113.11 2wdj n ILE 22 Ca 0.15 0.00 -0.17 0.00 0.56 0.00 0.00 62.75 63.28 2wdj n ILE 22 Cb 0.49 -0.35 -0.06 0.00 -0.75 0.00 0.00 39.64 38.97 2wdj n ILE 22 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 2wdj s ARG 23 N -1.45 1.01 -0.43 0.38 6.06 -1.08 -4.75 118.95 118.69 2wdj s ARG 23 Ca 0.00 0.22 -0.05 0.00 -2.50 0.00 0.00 55.73 53.40 2wdj s ARG 23 Cb 0.00 0.48 0.11 0.00 0.06 0.00 0.00 34.95 35.60 2wdj s ARG 23 CO 0.00 -0.31 0.25 0.54 -2.50 0.00 0.00 175.30 173.28 2wdj s VAL 24 N -1.18 3.64 -0.23 7.11 0.11 -1.26 -1.06 120.40 127.53 2wdj s VAL 24 Ca -0.11 -1.93 -0.28 0.00 -2.93 0.00 0.00 61.98 56.73 2wdj s VAL 24 Cb -0.01 -3.44 -0.04 0.00 -1.53 0.00 0.00 36.38 31.36 2wdj s VAL 24 CO 0.09 -0.71 2.01 -0.76 -3.33 0.00 0.00 175.10 172.41 2wdj s LEU 25 N 1.23 3.58 0.00 2.54 1.43 -0.93 -4.58 118.68 121.95 2wdj s LEU 25 Ca 0.07 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 2wdj s LEU 25 Cb -0.24 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2wdj s LEU 25 CO -0.03 -1.75 0.00 0.29 0.23 0.00 0.00 176.35 175.10 2wdj n LYS 26 N 8.46 0.00 -0.26 1.70 5.02 -1.26 -4.55 118.16 127.27 2wdj n LYS 26 Ca 0.26 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.50 2wdj n LYS 26 Cb 0.45 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.51 2wdj n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdj n GLY 27 N 0.00 -1.43 0.00 0.72 0.00 -1.26 -4.68 105.19 98.54 2wdj n GLY 27 Ca 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.59 2wdj n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wdj n SER 28 N -0.74 0.00 -2.67 1.61 3.41 -1.26 -4.03 113.62 109.94 2wdj n SER 28 Ca 0.02 -1.00 -0.05 0.00 -0.26 0.00 0.00 58.87 57.59 2wdj n SER 28 Cb 0.10 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.09 2wdj n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2wdj n ASN 29 N -0.70 -1.38 -4.71 4.04 0.23 -1.26 -5.14 115.26 106.33 2wdj n ASN 29 Ca 0.06 -1.96 -0.42 0.00 -0.53 0.00 0.00 54.58 51.73 2wdj n ASN 29 Cb 0.03 1.07 -0.03 0.00 -2.08 0.00 0.00 39.78 38.77 2wdj n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wdj s ALA 30 N 0.08 3.63 0.00 -2.53 0.00 -1.26 -4.95 121.76 116.73 2wdj s ALA 30 Ca 0.11 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.21 2wdj s ALA 30 Cb 0.18 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2wdj s ALA 30 CO -0.06 -0.69 0.63 1.63 0.00 0.00 0.00 175.76 177.27 2wdj n LYS 31 N 4.17 0.00 -2.01 0.00 4.76 -1.26 -4.85 118.16 118.97 2wdj n LYS 31 Ca 0.12 0.26 -0.08 0.00 -2.87 0.00 0.00 58.31 55.74 2wdj n LYS 31 Cb 0.42 -1.18 0.01 0.00 -1.84 0.00 0.00 35.03 32.44 2wdj n LYS 31 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2wdj n TYR 32 N -1.29 -1.98 -3.75 2.13 4.01 -1.26 -4.74 117.16 110.27 2wdj n TYR 32 Ca 0.00 -0.80 -0.12 0.00 -0.16 0.00 0.00 57.90 56.82 2wdj n TYR 32 Cb 0.00 -0.18 -0.12 0.00 -0.31 0.00 0.00 39.34 38.73 2wdj n TYR 32 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wdj s ALA 33 N -2.27 -0.61 0.20 -0.72 0.00 0.16 -4.92 121.76 113.60 2wdj s ALA 33 Ca 0.17 0.89 0.01 0.00 0.00 0.00 0.00 51.96 53.02 2wdj s ALA 33 Cb -0.01 -0.54 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 2wdj s ALA 33 CO 0.11 -0.16 0.03 -2.37 0.00 0.00 0.00 175.76 173.36 2wdj n THR 34 N 3.60 0.00 -1.63 0.00 5.66 -1.26 -0.73 114.28 119.91 2wdj n THR 34 Ca -0.19 -1.02 -0.54 0.00 -3.05 0.00 0.00 64.05 59.25 2wdj n THR 34 Cb 0.56 0.27 -0.06 0.00 -1.55 0.00 0.00 70.33 69.54 2wdj n THR 34 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2wdj n VAL 35 N -0.48 0.11 -0.14 1.08 0.31 -1.26 -0.77 118.33 117.18 2wdj n VAL 35 Ca -0.06 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2wdj n VAL 35 Cb 0.27 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 2wdj n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wdj n GLY 36 N 3.11 0.90 3.91 2.92 0.00 -0.48 -4.85 105.19 110.70 2wdj n GLY 36 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 2wdj n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wdj s ASP 37 N -2.82 6.45 0.06 1.61 1.01 0.05 -4.84 116.67 118.19 2wdj s ASP 37 Ca 0.00 0.64 0.03 0.00 0.71 0.00 0.00 52.55 53.93 2wdj s ASP 37 Cb 0.00 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 2wdj s ASP 37 CO 0.00 -0.12 0.03 -0.69 0.21 0.00 0.00 175.17 174.60 2wdj s VAL 38 N -1.96 4.25 0.08 -1.27 1.01 -1.26 -1.51 120.40 119.74 2wdj s VAL 38 Ca 0.43 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 2wdj s VAL 38 Cb -0.11 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 2wdj s VAL 38 CO 0.28 0.20 0.03 0.27 0.00 0.00 0.00 175.10 175.88 2wdj s ILE 39 N -1.27 0.17 -0.07 2.22 -4.36 0.45 -2.18 121.20 116.16 2wdj s ILE 39 Ca 0.25 -1.74 -0.05 0.00 -0.26 0.00 0.00 60.65 58.85 2wdj s ILE 39 Cb -0.12 -1.65 -0.04 0.00 1.25 0.00 0.00 42.46 41.90 2wdj s ILE 39 CO 0.17 -0.79 0.15 -0.69 0.24 0.00 0.00 174.94 174.02 2wdj s VAL 40 N -3.95 5.38 0.32 8.37 1.01 -0.22 -1.17 120.40 130.13 2wdj s VAL 40 Ca 0.12 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 2wdj s VAL 40 Cb 0.07 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 33.06 2wdj s VAL 40 CO -0.07 0.50 0.46 0.00 0.00 0.00 0.00 175.10 175.99 2wdj n ALA 41 N 1.57 -0.43 -3.84 5.51 0.00 -0.03 -0.66 120.51 122.62 2wdj n ALA 41 Ca -0.16 -1.41 -0.26 0.00 0.00 0.00 0.00 53.44 51.60 2wdj n ALA 41 Cb 0.54 1.14 -0.17 0.00 0.00 0.00 0.00 19.45 20.96 2wdj n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdj s SER 42 N -2.92 2.12 -0.13 0.00 0.15 0.50 -2.22 113.70 111.19 2wdj s SER 42 Ca 0.25 -0.30 -0.29 0.00 0.70 0.00 0.00 55.95 56.30 2wdj s SER 42 Cb -0.01 -0.84 -0.05 0.00 -1.71 0.00 0.00 66.02 63.41 2wdj s SER 42 CO 0.18 -0.10 1.86 -0.69 1.20 0.00 0.00 173.24 175.69 2wdj s VAL 43 N 1.55 3.33 -0.20 4.45 1.01 -0.76 -1.94 120.40 127.83 2wdj s VAL 43 Ca 0.02 0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.21 2wdj s VAL 43 Cb -0.13 -3.32 -0.12 0.00 0.00 0.00 0.00 36.38 32.81 2wdj s VAL 43 CO -0.07 -0.12 -0.06 0.29 0.00 0.00 0.00 175.10 175.15 2wdj n LYS 44 N 7.84 0.54 -4.84 2.72 4.76 -0.81 0.07 118.16 128.44 2wdj n LYS 44 Ca 0.22 0.47 -0.29 0.00 -2.87 0.00 0.00 58.31 55.84 2wdj n LYS 44 Cb 0.44 -1.65 -0.15 0.00 -1.84 0.00 0.00 35.03 31.83 2wdj n LYS 44 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2wdj s GLU 45 N -2.41 1.67 0.28 1.97 -1.05 -0.97 -4.70 118.70 113.49 2wdj s GLU 45 Ca -0.27 -1.03 -0.12 0.00 -0.15 0.00 0.00 54.97 53.39 2wdj s GLU 45 Cb 0.06 -1.81 0.01 0.00 -0.44 0.00 0.00 34.13 31.95 2wdj s GLU 45 CO 0.46 0.47 0.54 0.00 0.95 0.00 0.00 175.26 177.67 2wdj s ALA 46 N -0.78 -0.24 0.71 -0.84 0.00 -1.26 -1.72 121.76 117.63 2wdj s ALA 46 Ca 0.10 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 2wdj s ALA 46 Cb -0.10 1.02 0.06 0.00 0.00 0.00 0.00 23.12 24.10 2wdj s ALA 46 CO 0.02 -0.88 1.02 0.42 0.00 0.00 0.00 175.76 176.34 2wdj s ILE 47 N -3.65 2.28 0.00 0.00 1.09 0.78 -4.85 121.20 116.85 2wdj s ILE 47 Ca 0.22 -0.26 0.00 0.00 -1.10 0.00 0.00 60.65 59.51 2wdj s ILE 47 Cb -0.02 -3.01 0.00 0.00 -1.06 0.00 0.00 42.46 38.38 2wdj s ILE 47 CO 0.11 -0.01 0.28 -2.65 -0.10 0.00 0.00 174.94 172.57 2wdj n PRO 48 N -2.93 0.00 -0.67 2.79 -0.02 -1.26 -3.98 135.00 128.94 2wdj n PRO 48 Ca 0.08 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.48 2wdj n PRO 48 Cb 0.60 -0.75 -0.11 0.00 -0.02 0.00 0.00 33.50 33.23 2wdj n PRO 48 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wdj n ARG 49 N -0.37 1.34 -2.42 -0.52 5.12 -1.26 -4.89 116.66 113.66 2wdj n ARG 49 Ca 0.00 -0.65 -0.33 0.00 -1.93 0.00 0.00 57.85 54.94 2wdj n ARG 49 Cb 0.00 -1.81 -0.03 0.00 -1.16 0.00 0.00 32.46 29.45 2wdj n ARG 49 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2wdj s GLY 50 N 2.31 2.18 0.00 -0.13 0.00 -1.26 -4.89 107.32 105.53 2wdj s GLY 50 Ca 0.44 0.30 0.00 0.00 0.00 0.00 0.00 44.72 45.46 2wdj s GLY 50 CO 0.00 0.59 0.82 0.00 0.00 0.00 0.00 173.10 174.51 2wdj n ALA 51 N -1.44 2.40 -3.64 3.20 0.00 -1.02 -4.58 120.51 115.42 2wdj n ALA 51 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.44 2wdj n ALA 51 Cb 0.54 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 2wdj n ALA 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdj s VAL 52 N -1.81 0.00 0.31 0.00 0.11 -1.22 -5.03 120.40 112.76 2wdj s VAL 52 Ca 0.00 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.11 2wdj s VAL 52 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2wdj s VAL 52 CO 0.00 0.00 0.40 -0.54 -3.33 0.00 0.00 175.10 171.63 2wdj s LYS 53 N 0.92 3.09 0.37 1.54 3.01 -1.26 -4.40 119.74 123.00 2wdj s LYS 53 Ca -0.04 -1.02 -0.28 0.00 -1.01 0.00 0.00 55.97 53.62 2wdj s LYS 53 Cb -0.05 -2.76 -0.10 0.00 -1.01 0.00 0.00 37.83 33.92 2wdj s LYS 53 CO -0.11 0.15 1.41 -1.21 0.51 0.00 0.00 175.35 176.11 2wdj s GLU 54 N -4.09 4.15 0.00 1.68 2.02 -1.26 -3.04 118.70 118.16 2wdj s GLU 54 Ca 0.42 2.42 0.00 0.00 0.02 0.00 0.00 54.97 57.82 2wdj s GLU 54 Cb -0.09 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.18 2wdj s GLU 54 CO 0.30 -0.44 0.00 0.41 0.02 0.00 0.00 175.26 175.55 2wdj n GLY 55 N 0.59 0.65 3.78 -1.39 0.00 0.11 -4.99 105.19 103.94 2wdj n GLY 55 Ca 0.01 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 2wdj n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wdj s ASP 56 N -2.77 5.49 -0.95 1.61 -0.00 -1.17 -4.90 116.67 113.98 2wdj s ASP 56 Ca 0.00 -0.08 -0.11 0.00 -0.00 0.00 0.00 52.55 52.36 2wdj s ASP 56 Cb 0.00 -1.44 0.24 0.00 -0.00 0.00 0.00 42.92 41.72 2wdj s ASP 56 CO 0.00 0.13 0.91 -0.69 -0.00 0.00 0.00 175.17 175.51 2wdj s VAL 57 N -1.55 5.70 0.59 -1.27 1.01 -1.26 -1.83 120.40 121.79 2wdj s VAL 57 Ca 0.30 -2.93 -0.03 0.00 0.00 0.00 0.00 61.98 59.32 2wdj s VAL 57 Cb -0.11 -4.48 0.03 0.00 0.00 0.00 0.00 36.38 31.81 2wdj s VAL 57 CO 0.22 -1.09 0.86 0.68 0.00 0.00 0.00 175.10 175.77 2wdj s VAL 58 N -0.49 3.10 0.12 2.92 -7.23 -0.94 -4.85 120.40 113.03 2wdj s VAL 58 Ca 0.24 -0.32 0.07 0.00 -1.81 0.00 0.00 61.98 60.16 2wdj s VAL 58 Cb -0.10 -3.23 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 2wdj s VAL 58 CO -0.09 -0.21 -0.05 -0.75 -0.31 0.00 0.00 175.10 173.70 2wdj s LYS 59 N -4.93 2.31 0.07 4.82 2.20 -1.25 -0.85 119.74 122.10 2wdj s LYS 59 Ca 0.55 -1.00 -0.26 0.00 -0.36 0.00 0.00 55.97 54.91 2wdj s LYS 59 Cb -0.10 -2.38 0.08 0.00 -1.51 0.00 0.00 37.83 33.92 2wdj s LYS 59 CO 0.42 0.50 0.72 0.00 -0.36 0.00 0.00 175.35 176.63 2wdj s ALA 60 N -1.38 -1.71 0.05 3.13 0.00 -0.32 -0.65 121.76 120.89 2wdj s ALA 60 Ca 0.24 0.80 0.04 0.00 0.00 0.00 0.00 51.96 53.05 2wdj s ALA 60 Cb -0.11 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 2wdj s ALA 60 CO 0.16 -0.68 -0.03 0.54 0.00 0.00 0.00 175.76 175.76 2wdj s VAL 61 N -3.13 3.90 -0.09 0.00 0.11 -0.39 -0.41 120.40 120.38 2wdj s VAL 61 Ca 0.01 -0.88 -0.22 0.00 -2.93 0.00 0.00 61.98 57.95 2wdj s VAL 61 Cb -0.01 -2.79 -0.04 0.00 -1.53 0.00 0.00 36.38 32.01 2wdj s VAL 61 CO -0.08 0.24 0.64 -0.69 -3.33 0.00 0.00 175.10 171.87 2wdj s VAL 62 N -1.18 5.08 -0.42 2.04 1.01 -0.57 -1.11 120.40 125.25 2wdj s VAL 62 Ca 0.22 1.31 0.06 0.00 0.00 0.00 0.00 61.98 63.57 2wdj s VAL 62 Cb -0.11 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2wdj s VAL 62 CO 0.14 0.26 0.36 1.33 0.00 0.00 0.00 175.10 177.18 2wdj n VAL 63 N 3.83 0.00 -3.59 2.92 0.24 -0.65 -1.38 118.33 119.71 2wdj n VAL 63 Ca -0.03 -0.38 -0.16 0.00 -2.04 0.00 0.00 64.34 61.73 2wdj n VAL 63 Cb 0.51 1.03 -0.07 0.00 -1.47 0.00 0.00 33.84 33.85 2wdj n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2wdj s ARG 64 N -1.39 0.93 0.08 7.34 0.52 -1.17 -2.93 118.95 122.32 2wdj s ARG 64 Ca 0.04 0.59 0.03 0.00 -0.52 0.00 0.00 55.73 55.86 2wdj s ARG 64 Cb 0.05 0.44 -0.03 0.00 0.52 0.00 0.00 34.95 35.93 2wdj s ARG 64 CO 0.22 -0.21 -0.09 0.95 0.02 0.00 0.00 175.30 176.19 2wdj s THR 65 N -0.44 0.76 -0.63 0.02 -4.23 -1.21 -2.18 115.64 107.74 2wdj s THR 65 Ca -0.06 -1.48 0.25 0.00 -1.18 0.00 0.00 61.69 59.22 2wdj s THR 65 Cb -0.03 -1.14 0.15 0.00 1.34 0.00 0.00 72.50 72.82 2wdj s THR 65 CO 0.05 -0.54 1.48 0.50 -0.54 0.00 0.00 174.62 175.58 2wdj h LYS 66 N 3.82 0.00 -4.72 3.99 1.63 -1.72 -2.66 116.57 116.92 2wdj h LYS 66 Ca -0.37 0.00 -0.70 0.00 -0.85 0.00 0.00 60.65 58.73 2wdj h LYS 66 Cb 1.19 0.00 -0.20 0.00 -0.60 0.00 0.00 32.23 32.62 2wdj h LYS 66 CO 0.50 0.00 0.15 0.21 -3.45 0.00 0.00 179.45 176.86 2wdj s LYS 67 N -3.16 3.06 -0.20 1.90 2.47 -1.26 -4.66 119.74 117.90 2wdj s LYS 67 Ca 0.07 -1.32 -0.20 0.00 -1.56 0.00 0.00 55.97 52.96 2wdj s LYS 67 Cb 0.12 -4.28 -0.09 0.00 -1.46 0.00 0.00 37.83 32.13 2wdj s LYS 67 CO 0.68 -1.56 0.67 -0.85 0.16 0.00 0.00 175.35 174.45 2wdj n GLU 68 N 6.39 0.00 -2.88 4.03 0.00 -1.26 -4.69 120.64 122.23 2wdj n GLU 68 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.66 2wdj n GLU 68 Cb 0.43 -0.65 -0.04 0.00 0.00 0.00 0.00 31.44 31.18 2wdj n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2wdj s ILE 69 N 1.18 4.87 -0.20 3.84 1.01 0.12 -4.87 121.20 127.15 2wdj s ILE 69 Ca 0.45 1.66 -0.18 0.00 0.00 0.00 0.00 60.65 62.57 2wdj s ILE 69 Cb -0.64 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 37.65 2wdj s ILE 69 CO 0.34 0.02 0.52 -0.75 0.00 0.00 0.00 174.94 175.08 2wdj s LYS 70 N 2.16 4.20 0.40 2.79 2.20 -1.26 -1.85 119.74 128.38 2wdj s LYS 70 Ca 0.39 0.42 -0.14 0.00 -0.36 0.00 0.00 55.97 56.28 2wdj s LYS 70 Cb -0.17 -3.56 -0.08 0.00 -1.51 0.00 0.00 37.83 32.52 2wdj s LYS 70 CO 0.12 -0.14 0.82 1.03 -0.36 0.00 0.00 175.35 176.82 2wdj s ARG 71 N 1.61 3.93 0.41 4.03 1.81 0.16 -4.97 118.95 125.94 2wdj s ARG 71 Ca 0.24 0.70 0.29 0.00 -1.72 0.00 0.00 55.73 55.24 2wdj s ARG 71 Cb -0.15 -2.33 1.19 0.00 -0.45 0.00 0.00 34.95 33.20 2wdj s ARG 71 CO 0.10 -0.02 1.86 -1.00 -0.68 0.00 0.00 175.30 175.56 2wdj h PRO 72 N 1.58 0.00 0.00 3.54 0.13 -1.98 -1.83 132.00 133.44 2wdj h PRO 72 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wdj h PRO 72 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2wdj h PRO 72 CO 0.64 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 2wdj n ASP 73 N -2.69 0.00 0.00 1.44 5.68 -1.26 -4.88 116.55 114.85 2wdj n ASP 73 Ca 0.01 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 2wdj n ASP 73 Cb 0.27 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 2wdj n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wdj n GLY 74 N 0.84 0.32 3.88 6.12 0.00 -0.69 -5.07 105.19 110.59 2wdj n GLY 74 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 2wdj n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wdj s SER 75 N -2.50 5.10 0.05 1.61 1.04 -1.26 -4.93 113.70 112.81 2wdj s SER 75 Ca 0.00 -0.71 -0.11 0.00 0.48 0.00 0.00 55.95 55.61 2wdj s SER 75 Cb 0.00 -0.60 0.01 0.00 0.10 0.00 0.00 66.02 65.52 2wdj s SER 75 CO 0.00 -0.64 0.23 0.00 0.98 0.00 0.00 173.24 173.81 2wdj s ALA 76 N -2.45 -0.44 0.06 5.32 0.00 -1.26 -0.67 121.76 122.32 2wdj s ALA 76 Ca 0.48 -0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.25 2wdj s ALA 76 Cb -0.04 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 2wdj s ALA 76 CO 0.28 -0.42 -0.19 -1.50 0.00 0.00 0.00 175.76 173.94 2wdj s ILE 77 N -2.86 1.50 -0.10 0.00 1.10 -0.77 -4.97 121.20 115.10 2wdj s ILE 77 Ca -0.03 -1.27 -0.05 0.00 -0.51 0.00 0.00 60.65 58.79 2wdj s ILE 77 Cb 0.00 -1.35 0.05 0.00 0.15 0.00 0.00 42.46 41.31 2wdj s ILE 77 CO -0.05 0.03 0.22 -0.60 -2.11 0.00 0.00 174.94 172.43 2wdj s ARG 78 N -1.46 0.16 0.24 3.50 3.52 -1.26 0.12 118.95 123.78 2wdj s ARG 78 Ca 0.05 0.54 0.05 0.00 -0.13 0.00 0.00 55.73 56.24 2wdj s ARG 78 Cb -0.09 -0.13 -0.03 0.00 -1.56 0.00 0.00 34.95 33.14 2wdj s ARG 78 CO 0.02 -0.19 0.33 -0.06 -0.81 0.00 0.00 175.30 174.59 2wdj s PHE 79 N 1.50 3.39 -1.59 5.12 0.40 -1.00 -4.98 117.98 120.81 2wdj s PHE 79 Ca -0.07 -0.04 0.17 0.00 -0.60 0.00 0.00 56.93 56.40 2wdj s PHE 79 Cb -0.11 -1.54 0.92 0.00 0.51 0.00 0.00 43.02 42.80 2wdj s PHE 79 CO -0.08 0.45 1.50 -0.25 0.70 0.00 0.00 175.22 177.54 2wdj n ASP 80 N -1.37 0.00 -3.86 1.36 8.00 -1.26 -4.14 116.55 115.27 2wdj n ASP 80 Ca -0.09 -0.13 -0.09 0.00 0.71 0.00 0.00 54.79 55.20 2wdj n ASP 80 Cb 0.57 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.43 2wdj n ASP 80 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2wdj s ASP 81 N -2.41 -0.08 -0.42 -2.24 3.84 -1.26 -4.95 116.67 109.15 2wdj s ASP 81 Ca 0.19 -0.88 -0.09 0.00 -0.00 0.00 0.00 52.55 51.77 2wdj s ASP 81 Cb 0.12 0.64 0.08 0.00 -1.38 0.00 0.00 42.92 42.38 2wdj s ASP 81 CO 0.25 -1.24 0.27 0.20 -0.00 0.00 0.00 175.17 174.65 2wdj s ASN 82 N -3.01 5.66 0.31 2.11 -0.87 -1.26 -3.35 114.94 114.54 2wdj s ASN 82 Ca 0.19 -1.51 0.10 0.00 -1.57 0.00 0.00 52.86 50.07 2wdj s ASN 82 Cb -0.02 -2.00 -0.05 0.00 -0.02 0.00 0.00 41.25 39.16 2wdj s ASN 82 CO 0.09 -0.55 -0.03 0.00 -2.57 0.00 0.00 177.10 174.05 2wdj s ALA 83 N 1.43 3.11 0.17 0.60 0.00 -0.93 -0.55 121.76 125.60 2wdj s ALA 83 Ca 0.03 -1.88 -0.12 0.00 0.00 0.00 0.00 51.96 49.99 2wdj s ALA 83 Cb -0.23 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.45 2wdj s ALA 83 CO 0.02 0.15 0.38 0.00 0.00 0.00 0.00 175.76 176.31 2wdj s ALA 84 N -2.47 -0.39 -0.04 0.00 0.00 0.76 -1.63 121.76 117.99 2wdj s ALA 84 Ca 0.33 -0.60 0.07 0.00 0.00 0.00 0.00 51.96 51.76 2wdj s ALA 84 Cb -0.02 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 2wdj s ALA 84 CO 0.19 -0.70 -0.24 0.08 0.00 0.00 0.00 175.76 175.09 2wdj s VAL 85 N -3.92 1.90 0.04 0.00 1.01 -0.27 -0.21 120.40 118.95 2wdj s VAL 85 Ca 0.13 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 2wdj s VAL 85 Cb 0.02 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 2wdj s VAL 85 CO -0.02 0.53 0.98 -0.63 0.00 0.00 0.00 175.10 175.96 2wdj s ILE 86 N -0.35 4.72 0.16 2.22 1.09 -1.26 -1.26 121.20 126.51 2wdj s ILE 86 Ca 0.03 2.05 0.07 0.00 -1.10 0.00 0.00 60.65 61.70 2wdj s ILE 86 Cb -0.11 -4.31 -0.04 0.00 -1.06 0.00 0.00 42.46 36.94 2wdj s ILE 86 CO 0.01 0.22 0.02 -0.63 -0.10 0.00 0.00 174.94 174.46 2wdj s ILE 87 N 0.64 3.90 0.25 2.92 -1.09 0.18 -1.85 121.20 126.16 2wdj s ILE 87 Ca 0.50 -1.30 0.06 0.00 -2.23 0.00 0.00 60.65 57.68 2wdj s ILE 87 Cb -0.22 -2.95 -0.03 0.00 -1.58 0.00 0.00 42.46 37.68 2wdj s ILE 87 CO 0.29 -0.07 0.33 0.54 -1.23 0.00 0.00 174.94 174.80 2wdj s ASN 88 N -2.88 6.11 0.59 3.58 4.22 0.31 -3.97 114.94 122.89 2wdj s ASN 88 Ca 0.28 -0.03 0.35 0.00 -2.14 0.00 0.00 52.86 51.32 2wdj s ASN 88 Cb -0.10 -1.69 1.29 0.00 1.28 0.00 0.00 41.25 42.03 2wdj s ASN 88 CO 0.19 -0.10 1.50 0.78 -2.04 0.00 0.00 177.10 177.44 2wdj h ASN 89 N 1.21 0.00 -0.47 3.54 4.21 -1.97 2.10 115.58 124.20 2wdj h ASN 89 Ca -0.51 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 56.93 2wdj h ASN 89 Cb 1.23 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.39 2wdj h ASN 89 CO 0.60 0.00 0.10 0.00 -1.29 0.00 0.00 177.43 176.84 2wdj n GLN 90 N -3.59 3.38 -1.85 0.81 3.00 -1.26 -4.90 117.38 112.96 2wdj n GLN 90 Ca 0.28 -2.22 -0.21 0.00 -0.01 0.00 0.00 57.00 54.85 2wdj n GLN 90 Cb 1.55 -2.00 -0.06 0.00 0.00 0.00 0.00 30.24 29.72 2wdj n GLN 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2wdj n LEU 91 N 0.21 -1.64 -4.80 1.08 7.99 0.71 -5.00 117.00 115.54 2wdj n LEU 91 Ca 0.25 0.35 -0.31 0.00 -0.01 0.00 0.00 56.01 56.29 2wdj n LEU 91 Cb 1.01 -2.88 -0.06 0.00 -0.11 0.00 0.00 43.42 41.39 2wdj n LEU 91 CO 0.28 -0.81 -0.24 -1.61 -1.51 0.00 0.00 177.39 173.49 2wdj s GLU 92 N -4.17 2.98 0.49 3.23 2.02 -1.21 -4.72 118.70 117.32 2wdj s GLU 92 Ca 0.00 -0.65 -0.23 0.00 0.02 0.00 0.00 54.97 54.11 2wdj s GLU 92 Cb 0.00 -2.78 -0.07 0.00 0.10 0.00 0.00 34.13 31.38 2wdj s GLU 92 CO 0.00 0.57 1.28 -1.25 0.02 0.00 0.00 175.26 175.89 2wdj s PRO 93 N -2.41 3.53 0.00 0.39 0.04 -1.26 0.11 135.00 135.40 2wdj s PRO 93 Ca 0.30 2.06 0.24 0.00 0.04 0.00 0.00 61.00 63.65 2wdj s PRO 93 Cb -0.12 -2.41 0.34 0.00 0.04 0.00 0.00 34.50 32.34 2wdj s PRO 93 CO 0.23 -0.82 1.30 0.54 0.04 0.00 0.00 177.00 178.29 2wdj n ARG 94 N -0.60 0.87 -2.44 4.56 1.74 -0.77 -4.78 116.66 115.23 2wdj n ARG 94 Ca 0.08 -0.63 -0.15 0.00 -0.77 0.00 0.00 57.85 56.38 2wdj n ARG 94 Cb 0.46 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.47 2wdj n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdj n GLY 95 N 1.40 1.75 0.00 -0.13 0.00 -1.26 -4.87 105.19 102.08 2wdj n GLY 95 Ca 0.10 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2wdj n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wdj n THR 96 N -2.05 0.00 -3.55 2.61 -2.24 -1.26 -5.01 114.28 102.78 2wdj n THR 96 Ca 0.13 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2wdj n THR 96 Cb 0.46 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 2wdj n THR 96 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wdj n ARG 97 N -0.60 1.40 0.00 -0.78 5.12 -1.26 -5.07 116.66 115.47 2wdj n ARG 97 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wdj n ARG 97 Cb 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.31 2wdj n ARG 97 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 2wdj n VAL 98 N 0.00 0.00 -4.43 1.55 3.14 -1.26 -4.46 118.33 112.88 2wdj n VAL 98 Ca 0.00 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.15 2wdj n VAL 98 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 2wdj n VAL 98 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2wdj s PHE 99 N -0.74 2.14 0.34 1.45 0.08 0.57 -4.34 117.98 117.49 2wdj s PHE 99 Ca 0.00 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.66 2wdj s PHE 99 Cb 0.00 -0.96 0.00 0.00 -0.57 0.00 0.00 43.02 41.49 2wdj s PHE 99 CO 0.00 0.59 0.00 0.41 -0.10 0.00 0.00 175.22 176.12 2wdj n GLY 100 N -0.39 -2.25 3.45 4.36 0.00 -1.26 -4.81 105.19 104.30 2wdj n GLY 100 Ca -0.07 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 2wdj n GLY 100 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wdj s PRO 101 N -2.64 -1.64 -0.06 1.61 0.02 -1.26 -4.23 135.00 126.80 2wdj s PRO 101 Ca 0.00 0.36 -0.25 0.00 0.02 0.00 0.00 61.00 61.13 2wdj s PRO 101 Cb 0.00 -1.51 0.05 0.00 0.02 0.00 0.00 34.50 33.07 2wdj s PRO 101 CO 0.00 -4.08 0.56 0.14 -0.33 0.00 0.00 177.00 173.29 2wdj s VAL 102 N -2.55 0.02 0.21 3.83 -7.23 -1.11 -4.88 120.40 108.69 2wdj s VAL 102 Ca 0.69 -0.14 -0.30 0.00 -1.81 0.00 0.00 61.98 60.42 2wdj s VAL 102 Cb -0.17 -0.87 -0.08 0.00 0.56 0.00 0.00 36.38 35.82 2wdj s VAL 102 CO 0.60 -0.08 0.94 0.00 -0.31 0.00 0.00 175.10 176.25 2wdj s ALA 103 N -1.06 3.32 -1.05 1.32 0.00 -1.15 -1.67 121.76 121.47 2wdj s ALA 103 Ca -0.10 0.60 0.05 0.00 0.00 0.00 0.00 51.96 52.50 2wdj s ALA 103 Cb -0.02 -3.22 0.21 0.00 0.00 0.00 0.00 23.12 20.09 2wdj s ALA 103 CO 0.07 0.15 1.14 2.89 0.00 0.00 0.00 175.76 180.01 2wdj n ARG 104 N 1.82 0.01 0.31 0.00 1.85 -0.67 -1.42 116.66 118.56 2wdj n ARG 104 Ca -0.01 0.40 0.17 0.00 -1.00 0.00 0.00 57.85 57.41 2wdj n ARG 104 Cb 0.48 -1.50 0.98 0.00 -1.05 0.00 0.00 32.46 31.37 2wdj n ARG 104 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2wdj h GLU 105 N 0.00 0.00 -0.52 2.89 3.07 -1.90 -0.32 114.58 117.79 2wdj h GLU 105 Ca 0.00 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.89 2wdj h GLU 105 Cb 0.08 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 2wdj h GLU 105 CO 0.00 0.01 0.30 -0.07 -1.40 0.00 0.00 179.01 177.85 2wdj h LEU 106 N 0.00 0.48 0.34 1.33 3.38 -1.57 0.12 115.31 119.40 2wdj h LEU 106 Ca -0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2wdj h LEU 106 Cb 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2wdj h LEU 106 CO 0.00 0.34 -0.17 -0.09 0.09 0.00 0.00 178.44 178.61 2wdj h ARG 107 N 0.60 -0.44 -0.91 1.13 2.43 -1.28 0.66 114.38 116.56 2wdj h ARG 107 Ca 0.22 0.03 0.22 0.00 -0.81 0.00 0.00 59.98 59.63 2wdj h ARG 107 Cb 0.05 0.10 -0.12 0.00 -0.42 0.00 0.00 29.97 29.58 2wdj h ARG 107 CO -0.11 -0.25 0.44 0.93 -1.51 0.00 0.00 179.97 179.46 2wdj h GLU 108 N -0.53 0.45 0.00 0.20 5.08 -1.29 0.56 114.58 119.05 2wdj h GLU 108 Ca -0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2wdj h GLU 108 Cb 0.40 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2wdj h GLU 108 CO 0.08 0.30 0.00 1.63 -1.00 0.00 0.00 179.01 180.01 2wdj n LYS 109 N -4.99 0.06 -0.14 2.33 4.76 0.39 -4.93 118.16 115.64 2wdj n LYS 109 Ca 0.22 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 2wdj n LYS 109 Cb 0.64 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 2wdj n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdj n GLY 110 N 1.03 1.84 2.61 0.72 0.00 0.19 -5.05 105.19 106.53 2wdj n GLY 110 Ca 0.06 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2wdj n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wdj n PHE 111 N -1.26 3.19 0.18 1.61 3.72 -0.38 -4.95 117.46 119.58 2wdj n PHE 111 Ca 0.00 -3.64 -0.11 0.00 -0.05 0.00 0.00 57.45 53.65 2wdj n PHE 111 Cb 0.03 -0.79 -0.06 0.00 -0.94 0.00 0.00 39.48 37.73 2wdj n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 2wdj h MET 112 N 4.58 -0.59 -1.00 -1.08 2.86 -1.88 -2.96 114.93 114.85 2wdj h MET 112 Ca 0.20 0.04 0.22 0.00 -2.06 0.00 0.00 59.70 58.10 2wdj h MET 112 Cb 0.64 0.13 -0.11 0.00 0.06 0.00 0.00 31.60 32.33 2wdj h MET 112 CO 1.00 -0.40 0.61 0.87 1.06 0.00 0.00 176.91 180.06 2wdj h LYS 113 N -0.62 0.61 0.68 1.72 1.57 -2.00 -1.86 116.57 116.67 2wdj h LYS 113 Ca -0.04 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2wdj h LYS 113 Cb 0.53 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.71 2wdj h LYS 113 CO -0.03 0.40 -0.32 0.82 -0.57 0.00 0.00 179.45 179.75 2wdj h ILE 114 N 0.63 0.24 -0.55 1.86 1.08 -1.97 -0.01 117.51 118.77 2wdj h ILE 114 Ca 0.60 -0.20 0.11 0.00 -0.39 0.00 0.00 64.86 64.97 2wdj h ILE 114 Cb 1.12 0.29 -0.11 0.00 -3.07 0.00 0.00 36.82 35.06 2wdj h ILE 114 CO -0.39 0.02 -0.21 0.58 -0.69 0.00 0.00 178.15 177.46 2wdj h VAL 115 N -1.07 0.33 -0.38 1.67 2.07 -1.19 0.70 116.25 118.39 2wdj h VAL 115 Ca -0.09 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 2wdj h VAL 115 Cb 0.73 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2wdj h VAL 115 CO 0.15 0.00 0.00 0.77 0.02 0.00 0.00 177.57 178.51 2wdj h SER 116 N -0.08 0.65 -0.36 0.57 4.64 -1.38 -2.70 113.55 114.91 2wdj h SER 116 Ca 0.26 -0.31 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 2wdj h SER 116 Cb 0.48 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 2wdj h SER 116 CO -0.61 0.80 0.17 0.25 -0.87 0.00 0.00 176.83 176.57 2wdj h LEU 117 N 0.49 0.51 -9.64 5.97 6.46 0.10 -3.44 115.31 115.76 2wdj h LEU 117 Ca 0.11 -0.05 -0.57 0.00 -0.12 0.00 0.00 57.88 57.25 2wdj h LEU 117 Cb 0.46 -0.13 0.08 0.00 -0.73 0.00 0.00 40.66 40.35 2wdj h LEU 117 CO 0.02 0.46 0.68 0.00 -0.62 0.00 0.00 178.44 178.97 2wdj n ALA 118 N -2.47 1.47 0.76 1.25 0.00 0.23 -4.66 120.51 117.09 2wdj n ALA 118 Ca 0.03 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2wdj n ALA 118 Cb 0.14 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.27 2wdj n ALA 118 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wdj n PRO 119 N 2.02 0.76 0.00 0.00 -0.04 -1.26 -4.70 135.00 131.78 2wdj n PRO 119 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2wdj n PRO 119 Cb 0.33 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2wdj n PRO 119 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wdj n GLU 120 N 0.26 0.00 -3.96 0.54 2.13 -1.26 -4.89 120.64 113.46 2wdj n GLU 120 Ca 0.00 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 2wdj n GLU 120 Cb 0.24 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.81 2wdj n GLU 120 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2wdj s VAL 121 N -0.14 2.81 -1.39 6.31 1.01 -1.26 -2.76 120.40 124.97 2wdj s VAL 121 Ca 0.00 -1.27 0.11 0.00 0.00 0.00 0.00 61.98 60.82 2wdj s VAL 121 Cb 0.00 -2.54 0.09 0.00 0.00 0.00 0.00 36.38 33.93 2wdj s VAL 121 CO 0.00 0.04 0.85 0.18 0.00 0.00 0.00 175.10 176.17